N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine

C10H11F3N2 — CID 169473945

IUPACN-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
SMILESCNCC=Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2/c1-14-6-2-3-8-4-5-9(15-7-8)10(11,12)13/h2-5,7,14H,6H2,1H3
InChIKeyZQQZLUXKTOQJAG-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.33
Rot. Bonds3

About N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine

N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine (PubChem CID 169473945) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
PubChem CID169473945
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC NameN-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
SMILESCNCC=Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2/c1-14-6-2-3-8-4-5-9(15-7-8)10(11,12)13/h2-5,7,14H,6H2,1H3
InChIKeyZQQZLUXKTOQJAG-UHFFFAOYSA-N
XLogP2.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine (CID 169473945) is N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine is CNCC=Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine?
The InChIKey is ZQQZLUXKTOQJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-14-6-2-3-8-4-5-9(15-7-8)10(11,12)13/h2-5,7,14H,6H2,1H3.
What are the key properties of N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine?
N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine has a molecular weight of 216.21 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine is sourced from PubChem (CID 169473945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).